(3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone

C18H19F3N4O — CID 119576762

IUPAC(3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
SMILESCC1CN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C18H19F3N4O/c1-12-11-25(9-8-22-12)17(26)15-6-3-7-23-16(15)24-14-5-2-4-13(10-14)18(19,20)21/h2-7,10,12,22H,8-9,11H2,1H3,(H,23,24)
InChIKeyAVWPVVKSMZVZGI-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.28
Rot. Bonds3

About (3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone

(3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone (PubChem CID 119576762) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
PubChem CID119576762
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name(3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
SMILESCC1CN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C18H19F3N4O/c1-12-11-25(9-8-22-12)17(26)15-6-3-7-23-16(15)24-14-5-2-4-13(10-14)18(19,20)21/h2-7,10,12,22H,8-9,11H2,1H3,(H,23,24)
InChIKeyAVWPVVKSMZVZGI-UHFFFAOYSA-N
XLogP3.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 55976721
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride
CID 119543139
ethyl N-[1-[2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl]piperidin-3-yl]carbamate
CID 55844206
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 38602896
2-[4-[2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55460419
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 119450033
[4-(4-nitrophenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 26199826
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119578639
(3-methylpiperazin-1-yl)-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 166250479
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 97077466

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The IUPAC name of (3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone (CID 119576762) is (3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone.
What is the SMILES notation for (3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The canonical SMILES for (3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone is CC1CN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CCN1.
What is the InChIKey of (3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The InChIKey is AVWPVVKSMZVZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-12-11-25(9-8-22-12)17(26)15-6-3-7-23-16(15)24-14-5-2-4-13(10-14)18(19,20)21/h2-7,10,12,22H,8-9,11H2,1H3,(H,23,24).
What are the key properties of (3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
(3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone has a molecular weight of 364.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone is sourced from PubChem (CID 119576762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).